PENTAGASTRIN


SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey NEYNJQRKHLUJRU-DZUOILHNSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 8
Rotatable bonds 20
Molecular weight (Da) 767.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Human Cholecystokinin A pKi 7.28 7.59 7.84 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pKi 6.22 6.22 6.22 PDSP Ki database
CCK2 GASR Human Cholecystokinin A pKi 8.11 8.11 8.11 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Rat Cholecystokinin A pIC50 8.17 8.17 8.17 ChEMBL
CCK2 GASR Rat Cholecystokinin A pEC50 9.37 9.37 9.37 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 9.1 9.1 9.1 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pIC50 5.76 6.1 6.22 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 5.22 7.11 9.0 ChEMBL
CCK2 GASR Human Cholecystokinin A pEC50 8.55 8.55 8.55 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 8.04 8.04 8.04 Drug Central
CCK1 CCKAR Rat Cholecystokinin A pIC50 8.21 8.21 8.21 Drug Central
CCK2 GASR Rat Cholecystokinin A pIC50 8.09 8.09 8.09 Drug Central